#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 0.57 0.32 0.00 1.00 -1.26 -5.17 119.30 114.76 1bsh s MET 2 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 55.69 56.03 1bsh s MET 2 Cb 0.00 0.27 0.06 0.00 0.00 0.00 0.00 34.83 35.16 1bsh s MET 2 CO 0.00 -0.09 0.84 -0.08 0.00 0.00 0.00 175.02 175.69 1bsh s THR 3 N 0.01 0.00 0.00 2.05 -1.32 -1.26 -4.67 115.64 110.45 1bsh s THR 3 Ca -0.02 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1bsh s THR 3 Cb -0.03 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 1bsh s THR 3 CO 0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.42 1bsh n TYR 4 N -0.55 0.00 -4.18 9.09 4.11 -0.28 -4.59 117.16 120.75 1bsh n TYR 4 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.67 1bsh n TYR 4 Cb 0.60 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.81 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N -0.88 0.93 0.20 -3.48 5.65 -1.06 0.43 115.29 117.08 1bsh s HIS 5 Ca 0.00 -0.40 -0.01 0.00 0.25 0.00 0.00 55.06 54.90 1bsh s HIS 5 Cb 0.00 -0.55 -0.04 0.00 -1.18 0.00 0.00 32.58 30.81 1bsh s HIS 5 CO 0.00 -0.01 0.14 -0.48 -0.65 0.00 0.00 174.74 173.74 1bsh s LEU 6 N -1.31 1.14 -0.29 8.88 0.05 -0.72 -0.61 118.68 125.81 1bsh s LEU 6 Ca -0.03 -1.38 0.03 0.00 0.05 0.00 0.00 54.13 52.79 1bsh s LEU 6 Cb -0.08 0.41 0.18 0.00 -2.05 0.00 0.00 46.19 44.65 1bsh s LEU 6 CO 0.01 -0.84 0.54 -0.62 -0.55 0.00 0.00 176.35 174.88 1bsh s ASP 7 N -3.16 -1.03 -0.35 1.48 2.15 0.78 -2.63 116.67 113.92 1bsh s ASP 7 Ca 0.39 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1bsh s ASP 7 Cb 0.07 1.82 0.09 0.00 -0.30 0.00 0.00 42.92 44.60 1bsh s ASP 7 CO 0.12 -0.30 0.08 0.54 -0.17 0.00 0.00 175.17 175.44 1bsh s VAL 8 N 2.76 2.79 0.20 1.11 0.11 -0.57 -1.01 120.40 125.80 1bsh s VAL 8 Ca 0.13 -1.98 0.08 0.00 -2.93 0.00 0.00 61.98 57.28 1bsh s VAL 8 Cb -0.12 -2.87 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 1bsh s VAL 8 CO -0.25 -0.48 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.35 1bsh s VAL 9 N 1.08 3.63 -0.67 2.04 1.01 -0.49 -3.15 120.40 123.85 1bsh s VAL 9 Ca 0.05 -1.58 0.05 0.00 0.00 0.00 0.00 61.98 60.50 1bsh s VAL 9 Cb -0.21 -2.86 0.18 0.00 0.00 0.00 0.00 36.38 33.49 1bsh s VAL 9 CO -0.05 -0.20 0.51 -0.24 0.00 0.00 0.00 175.10 175.12 1bsh n SER 10 N -0.38 2.75 0.00 3.32 2.88 -1.21 -0.87 113.62 120.10 1bsh n SER 10 Ca -0.09 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 1bsh n SER 10 Cb 0.56 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh n ALA 11 N 1.92 0.00 -2.07 -1.46 0.00 -0.72 -2.26 120.51 115.92 1bsh n ALA 11 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1bsh n ALA 11 Cb 0.37 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.93 1bsh n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 12 N 0.00 0.98 -3.27 0.00 0.28 -1.26 -4.88 120.64 112.49 1bsh n GLU 12 Ca 0.00 -2.77 -0.25 0.00 -0.16 0.00 0.00 57.16 53.98 1bsh n GLU 12 Cb 0.00 -0.93 -0.07 0.00 1.43 0.00 0.00 31.44 31.87 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bsh n GLN 13 N -0.36 1.51 -1.59 3.44 6.02 -0.96 -5.10 117.38 120.35 1bsh n GLN 13 Ca 0.14 -3.84 -0.41 0.00 -0.01 0.00 0.00 57.00 52.88 1bsh n GLN 13 Cb 0.91 -1.67 0.02 0.00 1.02 0.00 0.00 30.24 30.52 1bsh n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bsh n GLN 14 N 1.07 1.18 0.00 -1.09 10.64 -1.26 -3.36 117.38 124.55 1bsh n GLN 14 Ca 0.25 0.43 0.00 0.00 -1.83 0.00 0.00 57.00 55.85 1bsh n GLN 14 Cb 0.49 -1.99 0.00 0.00 -0.86 0.00 0.00 30.24 27.88 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1bsh n MET 15 N 0.03 0.00 -3.80 2.61 2.81 -1.19 -4.93 117.12 112.65 1bsh n MET 15 Ca 0.10 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.63 1bsh n MET 15 Cb 0.41 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.81 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N -0.23 3.19 -0.28 2.03 2.19 -1.24 -5.01 117.98 118.64 1bsh s PHE 16 Ca 0.00 -0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.18 1bsh s PHE 16 Cb 0.00 -2.22 0.15 0.00 -1.31 0.00 0.00 43.02 39.65 1bsh s PHE 16 CO 0.00 -0.11 0.41 -1.54 1.83 0.00 0.00 175.22 175.81 1bsh s SER 17 N 1.17 0.30 0.00 6.13 1.04 -1.26 -1.51 113.70 119.58 1bsh s SER 17 Ca 0.05 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1bsh s SER 17 Cb -0.14 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1bsh s SER 17 CO 0.04 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1bsh n GLY 18 N 5.36 -0.02 3.30 7.32 0.00 -1.08 -5.03 105.19 115.04 1bsh n GLY 18 Ca -0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1bsh n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bsh s LEU 19 N 0.00 -1.15 0.00 0.99 1.43 -1.26 -1.76 118.68 116.93 1bsh s LEU 19 Ca 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1bsh s LEU 19 Cb 0.00 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1bsh s LEU 19 CO 0.00 -5.40 0.00 0.55 0.23 0.00 0.00 176.35 171.73 1bsh n VAL 20 N -5.66 0.00 0.02 -1.59 3.14 0.17 -4.41 118.33 110.00 1bsh n VAL 20 Ca 0.13 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.32 1bsh n VAL 20 Cb 0.60 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.27 1bsh n VAL 20 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1bsh h GLU 21 N 0.00 0.49 -1.70 1.45 4.81 -1.34 -0.74 114.58 117.55 1bsh h GLU 21 Ca 0.00 -0.54 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 1bsh h GLU 21 Cb 0.00 0.16 -0.25 0.00 0.63 0.00 0.00 28.75 29.29 1bsh h GLU 21 CO 0.00 1.18 0.31 0.15 -0.73 0.00 0.00 179.01 179.91 1bsh s LYS 22 N -3.19 0.54 0.00 1.92 1.02 -1.17 -4.59 119.74 114.27 1bsh s LYS 22 Ca -0.12 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.66 1bsh s LYS 22 Cb 0.04 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1bsh s LYS 22 CO 0.85 -0.09 0.00 0.44 -0.92 0.00 0.00 175.35 175.63 1bsh n ILE 23 N 3.21 0.00 -3.65 2.17 -5.35 -1.15 -0.74 119.36 113.85 1bsh n ILE 23 Ca -0.16 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.31 1bsh n ILE 23 Cb 0.57 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.41 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1bsh s GLN 24 N 3.87 0.15 -0.02 6.28 -0.44 0.65 -4.50 119.66 125.64 1bsh s GLN 24 Ca 0.00 0.23 -0.00 0.00 -2.50 0.00 0.00 55.36 53.08 1bsh s GLN 24 Cb 0.00 0.04 0.03 0.00 -1.64 0.00 0.00 33.01 31.44 1bsh s GLN 24 CO 0.00 -0.03 0.03 0.08 0.50 0.00 0.00 175.29 175.88 1bsh s VAL 25 N 0.81 -0.05 -0.16 1.34 1.01 -1.19 -1.16 120.40 121.00 1bsh s VAL 25 Ca -0.04 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1bsh s VAL 25 Cb -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 36.38 36.31 1bsh s VAL 25 CO -0.12 0.08 -0.00 -0.89 0.00 0.00 0.00 175.10 174.17 1bsh s THR 26 N 0.95 0.72 0.00 3.92 2.01 -1.02 -3.39 115.64 118.84 1bsh s THR 26 Ca -0.08 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1bsh s THR 26 Cb -0.11 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1bsh s THR 26 CO -0.03 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1bsh n GLY 27 N 5.00 2.01 0.00 4.40 0.00 -1.23 -2.69 105.19 112.67 1bsh n GLY 27 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bsh n SER 28 N 0.00 0.29 0.00 1.61 3.41 -1.26 -4.99 113.62 112.68 1bsh n SER 28 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1bsh n SER 28 Cb 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1bsh n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bsh n GLU 29 N -0.58 0.00 -1.66 4.33 -0.58 -1.26 -5.08 120.64 115.82 1bsh n GLU 29 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1bsh n GLU 29 Cb 0.01 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.89 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bsh n GLY 30 N 1.50 0.23 2.28 0.62 0.00 -1.26 -4.94 105.19 103.61 1bsh n GLY 30 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1bsh n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bsh n GLU 31 N 0.12 1.21 -4.08 1.61 0.28 -1.26 -3.89 120.64 114.63 1bsh n GLU 31 Ca 0.08 -3.55 -0.08 0.00 -0.16 0.00 0.00 57.16 53.44 1bsh n GLU 31 Cb 0.39 -1.66 -0.09 0.00 1.43 0.00 0.00 31.44 31.50 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bsh s LEU 32 N -2.21 2.01 0.00 -1.84 1.43 -1.22 -4.92 118.68 111.93 1bsh s LEU 32 Ca 0.40 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1bsh s LEU 32 Cb 0.29 0.39 0.00 0.00 0.03 0.00 0.00 46.19 46.90 1bsh s LEU 32 CO -0.09 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.42 1bsh n GLY 33 N -0.01 0.73 3.36 -3.19 0.00 -1.26 -3.19 105.19 101.63 1bsh n GLY 33 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1bsh n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 34 N 2.66 0.00 0.25 -0.61 -1.09 -1.26 -4.84 121.20 116.31 1bsh s ILE 34 Ca 0.00 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1bsh s ILE 34 Cb 0.00 -0.67 -0.04 0.00 -1.58 0.00 0.00 42.46 40.18 1bsh s ILE 34 CO 0.00 -0.02 0.17 -0.72 -1.23 0.00 0.00 174.94 173.14 1bsh s TYR 35 N 0.08 1.38 -1.08 3.97 1.13 -1.26 -2.95 117.35 118.63 1bsh s TYR 35 Ca -0.01 -1.45 -0.23 0.00 -1.41 0.00 0.00 57.07 53.97 1bsh s TYR 35 Cb -0.03 -0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 40.16 1bsh s TYR 35 CO 0.01 -0.68 1.82 -1.25 -2.51 0.00 0.00 175.55 172.94 1bsh s PRO 36 N -3.92 2.95 0.00 -3.49 0.04 -1.26 -2.44 135.00 126.88 1bsh s PRO 36 Ca 0.39 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.44 1bsh s PRO 36 Cb 0.06 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1bsh s PRO 36 CO 0.17 -3.18 0.00 0.41 0.04 0.00 0.00 177.00 174.44 1bsh n GLY 37 N 6.29 1.44 3.68 0.56 0.00 -1.26 -4.98 105.19 110.93 1bsh n GLY 37 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1bsh n GLY 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 38 N 0.00 2.16 -0.93 1.61 -0.00 -1.02 -4.87 115.22 112.16 1bsh n HIS 38 Ca 0.00 0.56 -0.35 0.00 0.46 0.00 0.00 57.72 58.39 1bsh n HIS 38 Cb 0.00 -2.40 0.07 0.00 -0.12 0.00 0.00 29.99 27.54 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh n ALA 39 N 0.44 -4.80 -2.04 1.57 0.00 -1.26 -4.69 120.51 109.72 1bsh n ALA 39 Ca 0.06 -0.82 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 1bsh n ALA 39 Cb 0.35 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N 1.22 2.58 -3.66 0.00 -0.04 -1.26 -4.83 135.00 129.00 1bsh n PRO 40 Ca 0.00 -2.74 -0.37 0.00 -0.04 0.00 0.00 63.50 60.35 1bsh n PRO 40 Cb 0.59 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.59 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 4.40 4.43 -0.21 1.53 2.01 -1.26 -5.00 118.68 124.57 1bsh s LEU 41 Ca 0.55 0.75 -0.04 0.00 0.01 0.00 0.00 54.13 55.40 1bsh s LEU 41 Cb 0.08 -2.40 0.09 0.00 0.01 0.00 0.00 46.19 43.97 1bsh s LEU 41 CO 0.05 0.35 0.18 -0.76 1.01 0.00 0.00 176.35 177.17 1bsh s LEU 42 N -1.11 0.11 0.00 1.79 1.43 -1.26 -2.90 118.68 116.73 1bsh s LEU 42 Ca 0.21 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1bsh s LEU 42 Cb -0.15 0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.17 1bsh s LEU 42 CO 0.10 -0.36 0.00 1.07 0.23 0.00 0.00 176.35 177.39 1bsh n THR 43 N 5.30 0.00 -3.02 5.49 5.66 -1.14 -5.06 114.28 121.51 1bsh n THR 43 Ca -0.06 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 1bsh n THR 43 Cb 0.48 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.33 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 44 N -1.00 4.69 -0.23 1.79 0.00 -1.26 -1.44 121.76 124.30 1bsh s ALA 44 Ca 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 51.96 49.75 1bsh s ALA 44 Cb 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1bsh s ALA 44 CO 0.00 -0.93 -0.03 -1.50 0.00 0.00 0.00 175.76 173.30 1bsh s ILE 45 N -2.71 3.39 0.47 0.00 1.10 -0.72 -4.01 121.20 118.72 1bsh s ILE 45 Ca 0.63 -0.58 -0.23 0.00 -0.51 0.00 0.00 60.65 59.96 1bsh s ILE 45 Cb -0.05 -2.59 -0.09 0.00 0.15 0.00 0.00 42.46 39.88 1bsh s ILE 45 CO 0.40 0.36 1.09 0.29 -2.11 0.00 0.00 174.94 174.96 1bsh n LYS 46 N 4.79 1.43 -1.80 3.50 4.01 -1.26 -4.33 118.16 124.51 1bsh n LYS 46 Ca -0.18 0.52 -0.29 0.00 -0.51 0.00 0.00 58.31 57.85 1bsh n LYS 46 Cb 0.50 -2.20 0.13 0.00 -0.51 0.00 0.00 35.03 32.96 1bsh n LYS 46 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1bsh s PRO 47 N -2.28 1.26 0.00 1.97 0.04 -1.26 -4.84 135.00 129.89 1bsh s PRO 47 Ca 0.66 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1bsh s PRO 47 Cb -0.50 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1bsh s PRO 47 CO 0.55 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.94 1bsh n GLY 48 N -3.11 0.57 3.58 0.56 0.00 -0.88 -3.54 105.19 102.37 1bsh n GLY 48 Ca 0.10 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 1bsh n GLY 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bsh n MET 49 N 0.00 0.67 -3.79 1.61 0.00 -1.10 -2.82 117.12 111.70 1bsh n MET 49 Ca 0.00 -2.97 -0.09 0.00 0.00 0.00 0.00 57.70 54.64 1bsh n MET 49 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 33.22 33.12 1bsh n MET 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1bsh s ILE 50 N -2.38 0.03 -0.01 3.17 1.01 0.19 -2.44 121.20 120.77 1bsh s ILE 50 Ca 0.48 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 1bsh s ILE 50 Cb -0.04 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.81 1bsh s ILE 50 CO 0.31 -0.14 0.42 -0.60 0.00 0.00 0.00 174.94 174.93 1bsh s ARG 51 N -3.90 0.82 0.17 2.79 3.52 -0.31 -2.90 118.95 119.15 1bsh s ARG 51 Ca 0.11 -0.12 -0.15 0.00 -0.13 0.00 0.00 55.73 55.44 1bsh s ARG 51 Cb -0.00 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1bsh s ARG 51 CO -0.02 -0.25 0.44 0.42 -0.81 0.00 0.00 175.30 175.09 1bsh s ILE 52 N -1.55 0.05 -0.18 4.11 1.01 -0.37 0.24 121.20 124.51 1bsh s ILE 52 Ca -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1bsh s ILE 52 Cb -0.03 -1.53 0.06 0.00 0.01 0.00 0.00 42.46 40.97 1bsh s ILE 52 CO 0.04 -0.21 0.09 -0.69 0.00 0.00 0.00 174.94 174.17 1bsh s VAL 53 N -3.88 -0.07 -0.03 2.92 1.01 0.08 -1.12 120.40 119.32 1bsh s VAL 53 Ca 0.09 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1bsh s VAL 53 Cb 0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.72 1bsh s VAL 53 CO -0.05 -0.30 1.76 -0.75 0.00 0.00 0.00 175.10 175.76 1bsh s LYS 54 N 2.13 4.15 0.38 2.72 2.20 -1.03 -1.18 119.74 129.11 1bsh s LYS 54 Ca 0.02 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1bsh s LYS 54 Cb -0.16 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 1bsh s LYS 54 CO -0.10 -0.90 0.00 0.94 -0.36 0.00 0.00 175.35 174.92 1bsh n GLN 55 N 7.28 0.00 -2.79 4.03 7.27 -1.26 -1.85 117.38 130.06 1bsh n GLN 55 Ca 0.18 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.15 1bsh n GLN 55 Cb 0.42 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.15 1bsh n GLN 55 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1bsh n HIS 56 N 0.00 -1.90 0.00 3.69 1.44 -1.26 -4.32 115.22 112.86 1bsh n HIS 56 Ca 0.00 -2.42 0.00 0.00 -2.01 0.00 0.00 57.72 53.29 1bsh n HIS 56 Cb 0.00 1.11 0.00 0.00 0.12 0.00 0.00 29.99 31.22 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bsh n GLY 57 N 0.06 1.35 3.98 -1.39 0.00 -0.77 -5.14 105.19 103.27 1bsh n GLY 57 Ca 0.07 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1bsh n GLY 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 58 N 0.83 1.73 0.06 1.61 2.46 -1.26 -4.94 115.29 115.78 1bsh s HIS 58 Ca 0.00 -0.71 0.09 0.00 0.47 0.00 0.00 55.06 54.91 1bsh s HIS 58 Cb 0.00 -2.13 -0.03 0.00 -0.13 0.00 0.00 32.58 30.29 1bsh s HIS 58 CO 0.00 -0.77 -0.24 -1.83 -2.47 0.00 0.00 174.74 169.42 1bsh s GLU 59 N -4.46 1.54 0.06 2.88 -1.05 -1.26 -2.47 118.70 113.93 1bsh s GLU 59 Ca 0.51 -1.10 0.05 0.00 -0.15 0.00 0.00 54.97 54.28 1bsh s GLU 59 Cb -0.05 -1.76 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1bsh s GLU 59 CO 0.32 0.44 -0.05 -1.21 0.95 0.00 0.00 175.26 175.71 1bsh s GLU 60 N -1.42 2.45 0.17 -4.83 8.01 -0.27 -4.90 118.70 117.90 1bsh s GLU 60 Ca 0.10 -0.83 0.04 0.00 0.01 0.00 0.00 54.97 54.29 1bsh s GLU 60 Cb -0.10 -2.47 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1bsh s GLU 60 CO 0.03 0.56 0.22 -0.06 0.01 0.00 0.00 175.26 176.02 1bsh s PHE 61 N -1.16 3.31 -0.09 1.61 0.40 -1.26 -1.23 117.98 119.56 1bsh s PHE 61 Ca 0.21 0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 1bsh s PHE 61 Cb -0.11 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1bsh s PHE 61 CO 0.13 0.51 0.46 0.42 0.70 0.00 0.00 175.22 177.44 1bsh s ILE 62 N -1.79 0.02 -0.11 0.64 1.01 -1.14 -4.74 121.20 115.10 1bsh s ILE 62 Ca 0.33 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1bsh s ILE 62 Cb -0.10 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.68 1bsh s ILE 62 CO 0.26 -0.10 0.27 -0.47 0.00 0.00 0.00 174.94 174.91 1bsh s TYR 63 N -0.64 -0.35 0.10 3.97 5.04 -1.26 0.56 117.35 124.77 1bsh s TYR 63 Ca -0.07 0.83 -0.26 0.00 -2.44 0.00 0.00 57.07 55.12 1bsh s TYR 63 Cb -0.03 0.09 0.08 0.00 0.35 0.00 0.00 41.96 42.45 1bsh s TYR 63 CO 0.04 -0.22 0.99 -0.48 -1.34 0.00 0.00 175.55 174.54 1bsh s LEU 64 N 0.94 -0.19 -0.35 6.97 -0.00 -1.13 -1.50 118.68 123.41 1bsh s LEU 64 Ca -0.06 -0.30 0.03 0.00 -0.00 0.00 0.00 54.13 53.79 1bsh s LEU 64 Cb -0.08 2.04 0.16 0.00 -0.00 0.00 0.00 46.19 48.31 1bsh s LEU 64 CO -0.06 -0.78 0.41 -0.44 -0.00 0.00 0.00 176.35 175.47 1bsh s SER 65 N -2.86 0.74 0.00 1.48 0.01 -1.24 -2.07 113.70 109.75 1bsh s SER 65 Ca 0.11 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.17 1bsh s SER 65 Cb -0.01 0.83 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1bsh s SER 65 CO -0.00 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1bsh n GLY 66 N 4.55 2.55 3.41 3.44 0.00 -1.26 -4.56 105.19 113.31 1bsh n GLY 66 Ca 0.08 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.41 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N 0.00 0.26 3.30 -0.02 0.00 -1.26 -1.67 105.19 105.80 1bsh n GLY 67 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1bsh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 68 N -2.03 2.26 0.14 -0.61 -1.09 -0.65 -1.76 121.20 117.46 1bsh s ILE 68 Ca 0.26 -0.99 0.08 0.00 -2.23 0.00 0.00 60.65 57.76 1bsh s ILE 68 Cb -0.01 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 1bsh s ILE 68 CO -0.01 0.57 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.97 1bsh s LEU 69 N -0.22 3.08 -0.28 2.97 0.20 -0.52 -1.58 118.68 122.33 1bsh s LEU 69 Ca -0.02 -0.44 -0.19 0.00 0.69 0.00 0.00 54.13 54.17 1bsh s LEU 69 Cb -0.13 -1.81 0.08 0.00 -0.43 0.00 0.00 46.19 43.90 1bsh s LEU 69 CO 0.03 0.14 0.74 -0.70 -0.29 0.00 0.00 176.35 176.26 1bsh s GLU 70 N -2.55 0.71 -0.11 1.98 2.12 -0.97 -2.88 118.70 117.01 1bsh s GLU 70 Ca 0.24 1.09 -0.07 0.00 0.36 0.00 0.00 54.97 56.59 1bsh s GLU 70 Cb -0.10 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 1bsh s GLU 70 CO 0.15 -0.13 0.15 0.54 -0.54 0.00 0.00 175.26 175.43 1bsh s VAL 71 N 1.21 5.49 0.46 3.70 0.11 -1.14 -2.73 120.40 127.50 1bsh s VAL 71 Ca -0.07 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1bsh s VAL 71 Cb -0.05 -3.42 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1bsh s VAL 71 CO -0.13 0.59 0.01 0.00 -3.33 0.00 0.00 175.10 172.23 1bsh n GLN 72 N 1.87 0.86 -2.56 1.54 6.02 0.02 -4.86 117.38 120.28 1bsh n GLN 72 Ca -0.19 -3.37 -0.42 0.00 -0.01 0.00 0.00 57.00 53.01 1bsh n GLN 72 Cb 0.55 0.95 -0.01 0.00 1.02 0.00 0.00 30.24 32.75 1bsh n GLN 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1bsh s PRO 73 N -3.66 3.84 0.00 -1.09 0.04 -1.26 -3.70 135.00 129.16 1bsh s PRO 73 Ca 0.01 -1.74 0.00 0.00 0.04 0.00 0.00 61.00 59.31 1bsh s PRO 73 Cb 0.00 -5.48 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1bsh s PRO 73 CO 0.01 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1bsh n GLY 74 N 5.79 0.39 3.26 0.56 0.00 -1.26 -5.04 105.19 108.89 1bsh n GLY 74 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1bsh n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bsh s ASN 75 N -2.28 1.75 0.04 1.61 0.01 -1.24 -2.55 114.94 112.27 1bsh s ASN 75 Ca 0.00 -1.05 0.01 0.00 -0.71 0.00 0.00 52.86 51.12 1bsh s ASN 75 Cb 0.00 0.00 -0.03 0.00 0.41 0.00 0.00 41.25 41.64 1bsh s ASN 75 CO 0.00 -0.37 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.47 1bsh s VAL 76 N -3.37 0.39 0.15 1.60 1.01 0.22 -0.80 120.40 119.60 1bsh s VAL 76 Ca 0.18 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1bsh s VAL 76 Cb 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1bsh s VAL 76 CO 0.01 -0.54 0.35 0.42 0.00 0.00 0.00 175.10 175.34 1bsh s THR 77 N -1.95 0.07 -0.30 3.92 -4.23 -1.11 -0.16 115.64 111.89 1bsh s THR 77 Ca -0.07 -0.98 -0.24 0.00 -1.18 0.00 0.00 61.69 59.22 1bsh s THR 77 Cb -0.06 -1.49 0.20 0.00 1.34 0.00 0.00 72.50 72.48 1bsh s THR 77 CO -0.02 -0.33 1.46 0.54 -0.54 0.00 0.00 174.62 175.73 1bsh s VAL 78 N -3.88 0.00 0.48 2.29 0.11 -0.18 -2.28 120.40 116.95 1bsh s VAL 78 Ca 0.09 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.21 1bsh s VAL 78 Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1bsh s VAL 78 CO -0.06 0.00 0.47 -0.76 -3.33 0.00 0.00 175.10 171.42 1bsh s LEU 79 N 0.10 3.15 0.14 2.54 1.02 -0.61 -1.39 118.68 123.62 1bsh s LEU 79 Ca 0.06 -0.90 -0.25 0.00 0.02 0.00 0.00 54.13 53.07 1bsh s LEU 79 Cb -0.05 -1.75 0.07 0.00 0.02 0.00 0.00 46.19 44.48 1bsh s LEU 79 CO -0.16 -0.91 0.83 0.00 0.02 0.00 0.00 176.35 176.12 1bsh s ALA 80 N -2.59 -1.60 -0.16 4.21 0.00 -0.05 -1.63 121.76 119.94 1bsh s ALA 80 Ca 0.47 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 1bsh s ALA 80 Cb -0.04 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 1bsh s ALA 80 CO 0.28 -0.90 -0.18 -0.25 0.00 0.00 0.00 175.76 174.72 1bsh n ASP 81 N -0.39 1.91 -4.75 0.00 8.00 -0.67 -1.75 116.55 118.89 1bsh n ASP 81 Ca -0.08 0.07 -0.35 0.00 0.71 0.00 0.00 54.79 55.13 1bsh n ASP 81 Cb 0.61 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bsh s THR 82 N -2.30 5.42 -0.18 -3.53 2.01 -1.26 -4.83 115.64 110.97 1bsh s THR 82 Ca -0.22 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 1bsh s THR 82 Cb 0.07 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 69.19 1bsh s THR 82 CO 0.32 0.47 0.15 0.00 -0.69 0.00 0.00 174.62 174.86 1bsh s ALA 83 N 0.13 0.09 -0.43 7.40 0.00 -1.26 -3.71 121.76 123.99 1bsh s ALA 83 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1bsh s ALA 83 Cb -0.11 -1.15 0.22 0.00 0.00 0.00 0.00 23.12 22.08 1bsh s ALA 83 CO -0.01 -1.16 0.49 -0.89 0.00 0.00 0.00 175.76 174.19 1bsh n ILE 84 N 5.30 -0.53 -0.92 0.00 5.41 -0.56 -5.02 119.36 123.04 1bsh n ILE 84 Ca -0.06 -3.97 -0.36 0.00 1.00 0.00 0.00 62.75 59.37 1bsh n ILE 84 Cb 0.49 -1.89 0.07 0.00 -0.71 0.00 0.00 39.64 37.60 1bsh n ILE 84 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1bsh n ARG 85 N 1.79 -0.25 -0.24 0.38 1.85 -1.26 -4.37 116.66 114.57 1bsh n ARG 85 Ca 0.24 -0.06 -0.10 0.00 -1.00 0.00 0.00 57.85 56.93 1bsh n ARG 85 Cb 0.50 -1.25 -0.06 0.00 -1.05 0.00 0.00 32.46 30.59 1bsh n ARG 85 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1bsh h GLY 86 N -1.24 -0.65 0.00 2.89 0.00 -1.85 -3.10 103.07 99.11 1bsh h GLY 86 Ca -0.44 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1bsh h GLY 86 CO 0.27 -0.11 0.00 -1.06 0.00 0.00 0.00 176.54 175.63 1bsh n GLN 87 N -5.37 0.00 -1.32 4.80 6.02 -1.26 -4.71 117.38 115.53 1bsh n GLN 87 Ca 0.01 0.09 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1bsh n GLN 87 Cb 0.33 -0.64 -0.05 0.00 1.02 0.00 0.00 30.24 30.90 1bsh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1bsh n ASP 88 N -0.23 -4.51 -1.30 1.08 2.03 -1.18 -2.28 116.55 110.17 1bsh n ASP 88 Ca 0.00 0.27 -0.09 0.00 0.52 0.00 0.00 54.79 55.50 1bsh n ASP 88 Cb 0.00 -2.99 0.01 0.00 -0.72 0.00 0.00 41.12 37.42 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bsh n LEU 89 N -1.26 -1.89 0.00 -2.67 4.77 -1.26 -4.98 117.00 109.71 1bsh n LEU 89 Ca -0.11 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1bsh n LEU 89 Cb 0.39 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1bsh n LEU 89 CO 0.17 0.06 0.00 -0.67 -1.33 0.00 0.00 177.39 175.62 1bsh n ASP 90 N 0.09 0.00 0.06 -1.43 -0.08 -0.96 -5.08 116.55 109.15 1bsh n ASP 90 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1bsh n ASP 90 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bsh n GLU 91 N -0.41 0.00 0.07 -0.67 1.02 -1.26 -4.51 120.64 114.87 1bsh n GLU 91 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1bsh n GLU 91 Cb 0.00 -0.02 0.34 0.00 -0.02 0.00 0.00 31.44 31.75 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 92 N -2.95 1.39 1.53 0.62 0.00 -1.26 -1.55 120.51 118.28 1bsh n ALA 92 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1bsh n ALA 92 Cb 0.00 -1.24 0.14 0.00 0.00 0.00 0.00 19.45 18.35 1bsh n ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bsh n ARG 93 N -1.85 1.35 0.02 0.00 3.00 -1.26 -3.43 116.66 114.50 1bsh n ARG 93 Ca 0.01 -0.55 -0.01 0.00 -0.00 0.00 0.00 57.85 57.31 1bsh n ARG 93 Cb 0.12 -1.16 -0.09 0.00 0.00 0.00 0.00 32.46 31.33 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bsh n ALA 94 N -0.09 1.88 0.32 5.13 0.00 -0.60 -3.79 120.51 123.38 1bsh n ALA 94 Ca 0.07 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 53.08 1bsh n ALA 94 Cb 0.14 -0.93 0.62 0.00 0.00 0.00 0.00 19.45 19.28 1bsh n ALA 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.77 -2.27 114.93 113.75 1bsh h MET 95 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1bsh h MET 95 Cb 1.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.30 1bsh h MET 95 CO 0.05 0.00 0.00 0.93 1.06 0.00 0.00 176.91 178.95 1bsh h GLU 96 N 0.00 0.00 -0.02 1.72 4.39 -1.78 -3.13 114.58 115.77 1bsh h GLU 96 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1bsh h GLU 96 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1bsh h GLU 96 CO 0.00 0.00 -0.73 0.00 -1.16 0.00 0.00 179.01 177.12 1bsh h ALA 97 N 2.12 0.76 0.00 3.43 0.00 -1.59 -2.82 119.26 121.16 1bsh h ALA 97 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1bsh h ALA 97 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1bsh h ALA 97 CO 0.00 0.86 -0.27 1.57 0.00 0.00 0.00 179.25 181.40 1bsh h LYS 98 N 0.07 0.00 0.00 0.00 5.09 -1.65 -2.58 116.57 117.50 1bsh h LYS 98 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.68 1bsh h LYS 98 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1bsh h LYS 98 CO 0.10 0.27 -0.16 -0.09 -2.09 0.00 0.00 179.45 177.48 1bsh h ARG 99 N 0.00 0.11 -0.01 0.07 2.43 -1.52 0.24 114.38 115.70 1bsh h ARG 99 Ca -0.00 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1bsh h ARG 99 Cb 1.20 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1bsh h ARG 99 CO 0.04 0.89 -0.50 0.87 -1.51 0.00 0.00 179.97 179.76 1bsh h LYS 100 N -0.63 0.03 0.00 0.20 1.57 -1.59 -2.01 116.57 114.14 1bsh h LYS 100 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1bsh h LYS 100 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1bsh h LYS 100 CO 0.03 0.53 -0.80 0.00 -0.57 0.00 0.00 179.45 178.64 1bsh h ALA 101 N 1.47 0.61 0.21 3.86 0.00 -1.51 -3.33 119.26 120.57 1bsh h ALA 101 Ca -0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 1bsh h ALA 101 Cb 0.90 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.72 1bsh h ALA 101 CO 0.07 0.03 -1.42 1.49 0.00 0.00 0.00 179.25 179.42 1bsh h GLU 102 N 0.00 0.45 -0.20 0.00 4.81 -0.27 -3.23 114.58 116.14 1bsh h GLU 102 Ca -0.00 -0.77 -0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1bsh h GLU 102 Cb 1.02 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1bsh h GLU 102 CO 0.00 1.36 0.12 1.49 -0.73 0.00 0.00 179.01 181.26 1bsh h GLU 103 N 0.12 0.26 0.00 1.92 4.57 -1.49 0.13 114.58 120.09 1bsh h GLU 103 Ca -0.22 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.88 1bsh h GLU 103 Cb 2.11 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.63 1bsh h GLU 103 CO 0.25 0.18 -0.30 1.25 -1.18 0.00 0.00 179.01 179.21 1bsh h HIS 104 N 0.27 0.00 -0.28 0.92 2.76 -1.66 -2.05 115.15 115.11 1bsh h HIS 104 Ca 0.07 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1bsh h HIS 104 Cb -0.02 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1bsh h HIS 104 CO 0.00 0.30 0.03 -0.89 -1.30 0.00 0.00 177.93 176.07 1bsh n ILE 105 N -3.88 1.33 0.27 6.26 5.41 0.03 -4.45 119.36 124.34 1bsh n ILE 105 Ca -0.02 -0.66 -0.13 0.00 1.00 0.00 0.00 62.75 62.95 1bsh n ILE 105 Cb 0.38 -0.44 -0.06 0.00 -0.71 0.00 0.00 39.64 38.80 1bsh n ILE 105 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1bsh h SER 106 N 1.66 -0.84 0.00 4.38 4.64 -1.34 -3.46 113.55 118.59 1bsh h SER 106 Ca 0.03 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1bsh h SER 106 Cb 1.25 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1bsh h SER 106 CO 0.25 -0.49 0.00 -1.20 -0.87 0.00 0.00 176.83 174.53 1bsh n SER 107 N -4.40 0.00 0.00 4.97 7.64 -1.26 -5.15 113.62 115.42 1bsh n SER 107 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1bsh n SER 107 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1bsh n SER 107 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bsh n SER 108 N 0.00 0.68 -4.55 6.43 7.64 -1.26 -5.16 113.62 117.39 1bsh n SER 108 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1bsh n SER 108 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1bsh n SER 108 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1bsh s HIS 109 N 1.60 2.37 0.00 1.43 3.76 -1.26 -5.08 115.29 118.11 1bsh s HIS 109 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1bsh s HIS 109 Cb 0.00 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.23 1bsh s HIS 109 CO 0.00 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.79 1bsh n GLY 110 N -0.81 3.60 0.07 -2.22 0.00 -1.26 -4.58 105.19 99.99 1bsh n GLY 110 Ca -0.05 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1bsh n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bsh h ASP 111 N 0.00 0.00 -0.06 1.61 5.19 -2.02 -3.41 116.42 117.73 1bsh h ASP 111 Ca 0.00 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1bsh h ASP 111 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1bsh h ASP 111 CO 0.00 0.90 -0.12 1.33 -3.12 0.00 0.00 179.24 178.22 1bsh n VAL 112 N -4.61 2.06 0.00 -1.35 0.24 -1.26 -4.55 118.33 108.86 1bsh n VAL 112 Ca -0.12 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.70 1bsh n VAL 112 Cb 0.33 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -1.22 0.00 0.27 -1.34 2.03 -1.26 -3.55 116.55 111.47 1bsh n ASP 113 Ca 0.19 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.65 1bsh n ASP 113 Cb 0.71 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.73 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1bsh h TYR 114 N 0.00 0.00 -0.88 -0.67 -0.00 -1.88 -2.69 116.97 110.84 1bsh h TYR 114 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 1bsh h TYR 114 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.68 1bsh h TYR 114 CO 0.00 0.03 0.58 0.00 -0.00 0.00 0.00 178.16 178.77 1bsh h ALA 115 N 1.97 1.50 -0.13 0.10 0.00 -1.80 -0.29 119.26 120.60 1bsh h ALA 115 Ca -0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1bsh h ALA 115 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bsh h ALA 115 CO 0.00 0.38 -0.52 1.96 0.00 0.00 0.00 179.25 181.08 1bsh h GLN 116 N 1.04 0.38 0.00 0.00 1.08 -1.53 -2.48 115.11 113.60 1bsh h GLN 116 Ca 0.37 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1bsh h GLN 116 Cb 0.14 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1bsh h GLN 116 CO -0.13 0.81 -0.04 0.00 -0.95 0.00 0.00 178.83 178.52 1bsh h ALA 117 N 1.15 1.22 -0.95 3.87 0.00 -1.10 -2.25 119.26 121.20 1bsh h ALA 117 Ca 0.01 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1bsh h ALA 117 Cb 1.01 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1bsh h ALA 117 CO 0.09 0.05 0.57 1.03 0.00 0.00 0.00 179.25 181.00 1bsh h SER 118 N 0.00 0.80 -0.04 0.00 0.87 -0.93 -0.59 113.55 113.66 1bsh h SER 118 Ca -0.00 0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 60.41 1bsh h SER 118 Cb 0.18 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1bsh h SER 118 CO 0.01 0.39 -0.79 0.00 -0.53 0.00 0.00 176.83 175.91 1bsh h ALA 119 N 1.55 0.36 -0.01 6.23 0.00 -1.57 -2.86 119.26 122.96 1bsh h ALA 119 Ca 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bsh h ALA 119 Cb 0.58 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bsh h ALA 119 CO -0.30 0.70 0.15 0.93 0.00 0.00 0.00 179.25 180.73 1bsh h GLU 120 N 0.47 0.00 0.05 0.00 4.39 -1.14 -1.95 114.58 116.40 1bsh h GLU 120 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1bsh h GLU 120 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1bsh h GLU 120 CO 0.16 0.00 -0.02 1.25 -1.16 0.00 0.00 179.01 179.23 1bsh h LEU 121 N 0.00 -0.05 -1.98 1.33 5.85 -1.15 -3.05 115.31 116.26 1bsh h LEU 121 Ca 0.01 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.02 1bsh h LEU 121 Cb 0.31 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1bsh h LEU 121 CO -0.00 0.17 0.76 0.00 -0.34 0.00 0.00 178.44 179.03 1bsh h ALA 122 N -1.55 2.96 -0.40 1.25 0.00 -1.53 0.31 119.26 120.30 1bsh h ALA 122 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1bsh h ALA 122 Cb 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bsh h ALA 122 CO 0.01 -1.29 0.02 0.87 0.00 0.00 0.00 179.25 178.87 1bsh h LYS 123 N 0.00 0.69 0.00 0.00 6.56 -1.43 -2.36 116.57 120.03 1bsh h LYS 123 Ca 0.49 -0.21 -0.01 0.00 -1.06 0.00 0.00 60.65 59.86 1bsh h LYS 123 Cb 2.00 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 33.59 1bsh h LYS 123 CO -0.01 0.77 -0.04 0.00 -2.06 0.00 0.00 179.45 178.11 1bsh h ALA 124 N 0.90 1.03 0.00 3.86 0.00 -0.28 -2.20 119.26 122.57 1bsh h ALA 124 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bsh h ALA 124 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bsh h ALA 124 CO 0.02 0.05 0.00 -0.89 0.00 0.00 0.00 179.25 178.43 1bsh n ILE 125 N -3.18 0.84 0.31 0.00 2.08 -0.88 -2.00 119.36 116.54 1bsh n ILE 125 Ca -0.00 0.22 0.12 0.00 0.56 0.00 0.00 62.75 63.65 1bsh n ILE 125 Cb 0.29 -1.13 0.22 0.00 -0.75 0.00 0.00 39.64 38.28 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh h ALA 126 N 2.30 0.98 0.00 -1.39 0.00 -1.42 -3.19 119.26 116.55 1bsh h ALA 126 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1bsh h ALA 126 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1bsh h ALA 126 CO 0.00 0.00 -0.45 0.37 0.00 0.00 0.00 179.25 179.17 1bsh h GLN 127 N 0.00 0.00 0.00 0.00 -0.00 -1.56 -2.18 115.11 111.37 1bsh h GLN 127 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1bsh h GLN 127 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.42 1bsh h GLN 127 CO 0.00 0.45 0.00 -0.11 0.00 0.00 0.00 178.83 179.17 1bsh n LEU 128 N -3.99 0.48 0.09 -2.39 7.94 -1.21 -2.96 117.00 114.96 1bsh n LEU 128 Ca -0.02 0.58 -0.23 0.00 -1.11 0.00 0.00 56.01 55.23 1bsh n LEU 128 Cb 0.48 -0.47 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 1bsh n LEU 128 CO 0.40 -0.29 -0.48 0.03 -1.11 0.00 0.00 177.39 175.94 1bsh h ARG 129 N 0.00 0.42 0.00 1.96 3.08 -1.53 -2.64 114.38 115.66 1bsh h ARG 129 Ca 0.00 -0.71 -0.02 0.00 0.07 0.00 0.00 59.98 59.31 1bsh h ARG 129 Cb 0.48 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1bsh h ARG 129 CO 0.00 1.34 -0.12 -0.39 -1.07 0.00 0.00 179.97 179.73 1bsh h VAL 130 N 0.11 0.31 0.04 2.04 -1.51 -1.48 -0.91 116.25 114.86 1bsh h VAL 130 Ca -0.33 -0.82 -0.29 0.00 -1.23 0.00 0.00 66.70 64.03 1bsh h VAL 130 Cb 2.11 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 32.87 1bsh h VAL 130 CO 0.20 0.12 -1.61 0.16 -1.23 0.00 0.00 177.57 175.20 1bsh h ILE 131 N 0.00 1.00 0.00 7.19 3.07 -1.61 -3.08 117.51 124.08 1bsh h ILE 131 Ca -0.00 -2.77 0.00 0.00 1.55 0.00 0.00 64.86 63.64 1bsh h ILE 131 Cb 0.62 2.56 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 1bsh h ILE 131 CO 0.02 0.68 -0.28 -0.33 -1.05 0.00 0.00 178.15 177.19 1bsh h GLU 132 N 0.02 0.00 0.06 0.16 4.39 -1.28 -2.70 114.58 115.23 1bsh h GLU 132 Ca -0.26 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.24 1bsh h GLU 132 Cb 1.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.62 1bsh h GLU 132 CO 0.10 0.00 -1.03 -0.07 -1.16 0.00 0.00 179.01 176.86 1bsh h LEU 133 N 0.00 0.20 -0.23 1.33 4.07 -1.27 -3.32 115.31 116.09 1bsh h LEU 133 Ca 0.00 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.16 1bsh h LEU 133 Cb 0.89 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1bsh h LEU 133 CO 0.00 1.44 0.00 1.07 -1.08 0.00 0.00 178.44 179.87 1bsh n THR 134 N -4.22 0.63 -0.17 0.22 5.66 -1.16 -3.30 114.28 111.94 1bsh n THR 134 Ca -0.23 0.01 0.29 0.00 -3.05 0.00 0.00 64.05 61.08 1bsh n THR 134 Cb 0.75 -0.82 0.68 0.00 -1.55 0.00 0.00 70.33 69.38 1bsh n THR 134 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1bsh h LYS 135 N 0.00 0.00 0.18 1.09 1.79 -1.57 0.49 116.57 118.54 1bsh h LYS 135 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 1bsh h LYS 135 Cb 0.50 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1bsh h LYS 135 CO 0.00 0.00 -1.54 0.87 -1.08 0.00 0.00 179.45 177.70 1bsh h LYS 136 N 0.00 0.38 0.00 3.15 1.57 -1.80 -3.38 116.57 116.50 1bsh h LYS 136 Ca 0.44 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1bsh h LYS 136 Cb 2.09 0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.64 1bsh h LYS 136 CO -0.00 1.28 0.00 0.00 -0.57 0.00 0.00 179.45 180.16 1bsh n ALA 137 N -2.72 -0.34 -0.48 3.86 0.00 0.17 -5.22 120.51 115.78 1bsh n ALA 137 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1bsh n ALA 137 Cb 1.07 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17